General Information of the Compound
| Compound ID |
CP0508835
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| Compound Name |
3-(1-benzothiophen-2-ylmethylamino)pyridine-4-carboxylic acid
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| Structure |
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| Formula |
C15H12N2O2S
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| Molecular Weight |
284.34
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| Canonical SMILES |
OC(=O)c1ccncc1NCc1cc2ccccc2s1
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| InChI |
InChI=1S/C15H12N2O2S/c18-15(19)12-5-6-16-9-13(12)17-8-11-7-10-3-1-2-4-14(10)20-11/h1-7,9,17H,8H2,(H,18,19)
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| InChIKey |
QJRHVJKUHPDCIE-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound